CID 1118

Sulfuric acid

Structural Information

Molecular Formula
H2O4S
SMILES
OS(=O)(=O)O
InChI
InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)
InChIKey
QAOWNCQODCNURD-UHFFFAOYSA-N
Compound name
sulfuric acid
Related CIDs

2D Structure

compound 2d structure
11
Annotation Hits

31830
References

864362
Patents

97.96738 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 98.974656 111.1
[M+Na]+ 120.95660 120.5
[M-H]- 96.960104 109.7
[M+NH4]+ 116.00120 133.4
[M+K]+ 136.93054 119.6
[M+H-H2O]+ 80.964640 107.9
[M+HCOO]- 142.96558 128.0
[M+CH3COO]- 156.98123 154.2
[M+Na-2H]- 118.94205 117.3
[M]+ 97.966831 112.2
[M]- 97.967929 112.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe